| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 31 | Yes |
Popular Name: (2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(dimethylamino)-2-phenyl-pentanamide (2S)-N-[[3,5-bis(trifluoromethyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.18 | 12.59 | -39.8 | 2 | 3 | 1 | 34 | 447.443 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR2-1-E | C-C Chemokine Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 13 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 13 | 0.36 | Binding ≤ 1μM |
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 13 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Beta defensins | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
